4-amino-3-(cyclohexen-1-yl)benzamide

C13H16N2O — CID 58754805

IUPAC4-amino-3-(cyclohexen-1-yl)benzamide
SMILESNC(=O)c1ccc(N)c(C2=CCCCC2)c1
InChIInChI=1S/C13H16N2O/c14-12-7-6-10(13(15)16)8-11(12)9-4-2-1-3-5-9/h4,6-8H,1-3,5,14H2,(H2,15,16)
InChIKeyWRIRKUCQWUGFLN-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.33
Rot. Bonds2

About 4-amino-3-(cyclohexen-1-yl)benzamide

4-amino-3-(cyclohexen-1-yl)benzamide (PubChem CID 58754805) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-amino-3-(cyclohexen-1-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-(cyclohexen-1-yl)benzamide
PubChem CID58754805
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-amino-3-(cyclohexen-1-yl)benzamide
SMILESNC(=O)c1ccc(N)c(C2=CCCCC2)c1
InChIInChI=1S/C13H16N2O/c14-12-7-6-10(13(15)16)8-11(12)9-4-2-1-3-5-9/h4,6-8H,1-3,5,14H2,(H2,15,16)
InChIKeyWRIRKUCQWUGFLN-UHFFFAOYSA-N
XLogP2.33
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohepten-1-yl)-3-(trifluoromethyl)benzamide
CID 143924571
2-(cyclohexen-1-yl)-1H-indole-5-carboxamide
CID 11230198
dimethyl 2-[4-amino-3-(cyclohexen-1-yl)phenyl]propanedioate
CID 59771183
2-[4-amino-3-(cyclohexen-1-yl)phenyl]propane-1,3-diol
CID 69274608
1-[4-amino-3-(cyclohexen-1-yl)phenyl]-2-methylpropan-2-ol
CID 68507449
2-(cyclohexen-1-yl)aniline;rhodium
CID 166447509
4-(cyclohexen-1-yl)-3-ethylbenzoic acid
CID 59316804
5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 25958
2-(cyclohexen-1-yl)-4-piperidin-4-ylaniline;bis(2,2,2-trifluoroacetic acid)
CID 172783438
2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)benzamide
CID 68946058
1-[4-[4-amino-3-(cyclohexen-1-yl)phenyl]piperidin-1-yl]-2-(dimethylamino)ethanone
CID 68505177
4-amino-3-[2-(cyclopenten-1-yl)ethylamino]benzamide
CID 114152757

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyclohexen-1-yl)benzamide?
The IUPAC name of 4-amino-3-(cyclohexen-1-yl)benzamide (CID 58754805) is 4-amino-3-(cyclohexen-1-yl)benzamide.
What is the SMILES notation for 4-amino-3-(cyclohexen-1-yl)benzamide?
The canonical SMILES for 4-amino-3-(cyclohexen-1-yl)benzamide is NC(=O)c1ccc(N)c(C2=CCCCC2)c1.
What is the InChIKey of 4-amino-3-(cyclohexen-1-yl)benzamide?
The InChIKey is WRIRKUCQWUGFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-12-7-6-10(13(15)16)8-11(12)9-4-2-1-3-5-9/h4,6-8H,1-3,5,14H2,(H2,15,16).
What are the key properties of 4-amino-3-(cyclohexen-1-yl)benzamide?
4-amino-3-(cyclohexen-1-yl)benzamide has a molecular weight of 216.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclohexen-1-yl)benzamide is sourced from PubChem (CID 58754805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).